ethyl 2-morpholin-4-ium-4-yl-2-phenylacetate

C14H20NO3+ — CID 3435189

IUPACethyl 2-morpholin-4-ium-4-yl-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)[NH+]1CCOCC1
InChIInChI=1S/C14H19NO3/c1-2-18-14(16)13(12-6-4-3-5-7-12)15-8-10-17-11-9-15/h3-7,13H,2,8-11H2,1H3/p+1
InChIKeyOIUQKKNLLSEGIY-UHFFFAOYSA-O
MW250.32 g/mol
LogP0.21
Rot. Bonds4

About ethyl 2-morpholin-4-ium-4-yl-2-phenylacetate

ethyl 2-morpholin-4-ium-4-yl-2-phenylacetate (PubChem CID 3435189) has the molecular formula C14H20NO3+ and a molecular weight of 250.32 g/mol. Its IUPAC name is ethyl 2-morpholin-4-ium-4-yl-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-morpholin-4-ium-4-yl-2-phenylacetate
PubChem CID3435189
Molecular FormulaC14H20NO3+
Molecular Weight250.32 g/mol
Exact Mass250.14
IUPAC Nameethyl 2-morpholin-4-ium-4-yl-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)[NH+]1CCOCC1
InChIInChI=1S/C14H19NO3/c1-2-18-14(16)13(12-6-4-3-5-7-12)15-8-10-17-11-9-15/h3-7,13H,2,8-11H2,1H3/p+1
InChIKeyOIUQKKNLLSEGIY-UHFFFAOYSA-O
XLogP0.21
TPSA39.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-ethoxyphenyl)-2-morpholin-4-ium-4-yl-2-phenylethanone
CID 6940851
2-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)ethanone chloride
CID 44657749
ethyl (2R)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-phenylacetate
CID 6937979
ethyl (2S)-2-cyano-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]iminopropanoate
CID 8812746
ethyl (2R)-2-(2-methyl-1,3-dioxolan-2-yl)-2-phenylacetate
CID 86338343
2-hydroxy-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
CID 9212466
2-(4-methoxyphenoxy)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
CID 9217593
ethyl (2R,3S)-3-amino-2-morpholin-4-yl-3-phenylpropanoate
CID 101092086
ethyl (2S,3S)-2,3-dimorpholin-4-yl-3-phenylpropanoate
CID 680324
3-ethoxy-3-oxo-2-phenylpropanoic acid;hydrochloride
CID 70417854
ethyl 1-[2-[[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8772993
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658

Frequently Asked Questions

What is the IUPAC name of ethyl 2-morpholin-4-ium-4-yl-2-phenylacetate?
The IUPAC name of ethyl 2-morpholin-4-ium-4-yl-2-phenylacetate (CID 3435189) is ethyl 2-morpholin-4-ium-4-yl-2-phenylacetate.
What is the SMILES notation for ethyl 2-morpholin-4-ium-4-yl-2-phenylacetate?
The canonical SMILES for ethyl 2-morpholin-4-ium-4-yl-2-phenylacetate is CCOC(=O)C(c1ccccc1)[NH+]1CCOCC1.
What is the InChIKey of ethyl 2-morpholin-4-ium-4-yl-2-phenylacetate?
The InChIKey is OIUQKKNLLSEGIY-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19NO3/c1-2-18-14(16)13(12-6-4-3-5-7-12)15-8-10-17-11-9-15/h3-7,13H,2,8-11H2,1H3/p+1.
What are the key properties of ethyl 2-morpholin-4-ium-4-yl-2-phenylacetate?
ethyl 2-morpholin-4-ium-4-yl-2-phenylacetate has a molecular weight of 250.32 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-morpholin-4-ium-4-yl-2-phenylacetate is sourced from PubChem (CID 3435189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).